CID 12177801

4-(4-bromophenethyl)morpholine

Structural Information

Molecular Formula
C12H16BrNO
SMILES
C1COCCN1CCC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H16BrNO/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10H2
InChIKey
NCUTUFSXCVKNAD-UHFFFAOYSA-N
Compound name
4-[2-(4-bromophenyl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

269.04153 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04881 154.8
[M+Na]+ 292.03075 163.2
[M-H]- 268.03425 162.2
[M+NH4]+ 287.07535 172.1
[M+K]+ 308.00469 153.5
[M+H-H2O]+ 252.03879 153.5
[M+HCOO]- 314.03973 171.4
[M+CH3COO]- 328.05538 192.6
[M+Na-2H]- 290.01620 161.8
[M]+ 269.04098 170.7
[M]- 269.04208 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe